Browsing by Author "XX676954"
Now showing items 1-6 of 6
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(Socieda Chilena de Quìmica, 1997-08-01)The conformational properties of ten ring-methylated N-methyl- and N,Ndimethylanilines have been studied using 13C-NMR chemical shifts and spin-Iattice relaxation times in CDCI3, and semi-empírical (AM1) quantum-chemical ...
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Comparative SCF MO studies for some histamine analogues as agonists of the H2 receptor of histamine (Sociedad Chilena de Química, 1999)This paper presents SCF AM1 and CNDO/2 RF calculations of the potential energy surface of histamine monocation (HA) and the agonists 2-(4-thiazolyl)ethylamine (TIA) and 2-(4-oxazolyl)ethylamine (OXA). the similarity of ...
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(ELSEVIER SCIENCE BV, 1991-03-07)In order to examine environmental effects, the interaction oí histamine (HA) with a model of the H2 receptor was analyzed using the self-consistent reaction field theory at the CNDO/21evel, in vacuo, and in the presence ...
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(ELSEVIER SCIENCE BV, 1991-03-07)In order to examine environmental effects, the interaction oí histamine (HA) with a model of the H2 receptor was analyzed using the self-consistent reaction field theory at the CNDO/21evel, in vacuo, and in the presence ...
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(John Wiley & Sons, lnc., 1990-01-30)A model for catecholamine storage in vesicles is analyzed within the ,CRI CNDO/2 approach inc1uding conlinuum solvenl crfcels. The model considers lhe approach of calionic norepinephrine (NE) 10 a positively charged ...
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(Sociedad Chilena de Química, 1998)The potential energy surface of hstamine monocation is calculated by MNDO types methodologies and by the Reaction Field model at CNDO/2 level, in order to rationalize the experimental findings about the relative abundance ...
